C156-0050 Screening compound: (2E)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C156-0050 Screening compound: (2E)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
C156-0050 Screening compound: (2E)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C156-0050
(2E)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C156-0050

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

(2E)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

IUPAC name

(2E)-N-{2-[(2-methyl-1H-indol-3-yl)sulfanyl]ethyl}-3-(345-trimethoxyphenyl)prop-2-enamide

SMILES

Cc([nH]c1c2cccc1)c2SCCNC(/C=C/c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C23H26N2O4S/c1-15-23(17-7-5-6-8-18(17)25-15)30-12-11-24-21(26)10-9-16-13-19(27-2)22(29-4)20(14-16)28-3/h5-10,13-14,25H,11-12H2,1-4H3,(H,24,26)

InChI Key

VCPITMFBQXONCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.732

Distribution Coefficient, logD

3.732

Water Solubility, LogSw

-4.28

Polar Surface Area

57.184

Acid Dissociation Constant (pKa)

14.87

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C156-0050 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C156-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C156-0050?
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What is the minimum amount of C156-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C156-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C156-0050
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C156-0050 available by request